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science/py-moltemplate: Remove expired port

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2025-03-31 science/py-moltemplate: Depends on expired devel/py-pytest-runner
This commit is contained in:
Rene Ladan 2025-03-31 16:25:45 +02:00
parent 74bdf26c67
commit d036634055
5 changed files with 1 additions and 67 deletions
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1
MOVED
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@ -4223,3 +4223,4 @@ www/py-flask-security||2025-03-31|Has expired: Depends on expired devel/py-pytes
devel/py-aiocontextvars||2025-03-31|Has expired: Depends on expired devel/py-pytest-runner
finance/odoo||2025-03-31|Has expired: Depends on expired print/py-pypdf2
converters/libutf-8||2025-03-31|Has expired: Upstream disapeared and distfile is no more available
science/py-moltemplate||2025-03-31|Has expired: Depends on expired devel/py-pytest-runner

1
science/Makefile
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@ -374,7 +374,6 @@
SUBDIR += py-mmcif
SUBDIR += py-mmtf-python
SUBDIR += py-molmod
SUBDIR += py-moltemplate
SUBDIR += py-mp-api
SUBDIR += py-mpcontribs-client
SUBDIR += py-mplhep

47
science/py-moltemplate/Makefile
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@ -1,47 +0,0 @@
PORTNAME= moltemplate
DISTVERSIONPREFIX= v
DISTVERSION= 2.22.0
PORTREVISION= 1
CATEGORIES= science python
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Tool to prepare simulations of molecules, complex molecular assemblies
WWW= https://www.moltemplate.org/ \
https://github.com/jewettaij/moltemplate
LICENSE= MIT
LICENSE_FILE= ${WRKSRC}/LICENSE.md
DEPRECATED= Depends on expired devel/py-pytest-runner
EXPIRATION_DATE=2025-03-31
BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest-runner>0:devel/py-pytest-runner@${PY_FLAVOR}
RUN_DEPENDS= ${PYNUMPY} \
bash:shells/bash
TEST_DEPENDS= shunit2>0:devel/shunit2
USES= python shebangfix
USE_PYTHON= distutils concurrent autoplist
USE_GITHUB= yes
GH_ACCOUNT= jewettaij
SHEBANG_FILES= moltemplate/scripts/molc.sh #shunit2/shunit2
NO_ARCH= yes
BINARY_ALIAS= python3=${PYTHON_CMD}
TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} PATH=${STAGEDIR}${LOCALBASE}/bin:${PATH}
do-test: # testsuite instructions: https://github.com/jewettaij/moltemplate/issues/65#issuecomment-1022740972
@cd ${WRKSRC} && \
([ -e shunit2 ] || (${MKDIR} tests/shunit2 && ${RM} tests/shunit2/shunit2 && ${LN} -s ${LOCALBASE}/bin/shunit2 tests/shunit2/shunit2)) && \
${SETENV} ${TEST_ENV} bash tests/test_read_coords_pdb.sh && \
${SETENV} ${TEST_ENV} bash tests/test_ltemplify.sh && \
${SETENV} ${TEST_ENV} bash tests/test_oplsaa.sh && \
${SETENV} ${TEST_ENV} bash tests/test_compass.sh && \
${SETENV} ${TEST_ENV} python3 tests/test_genpoly_lt.py
.include <bsd.port.mk>

3
science/py-moltemplate/distinfo
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@ -1,3 +0,0 @@
TIMESTAMP = 1733724285
SHA256 (jewettaij-moltemplate-v2.22.0_GH0.tar.gz) = d262abb8d105118417ebb607ac8a1d2bafcb867985f606dc4c0a499789a35a09
SIZE (jewettaij-moltemplate-v2.22.0_GH0.tar.gz) = 9626611

16
science/py-moltemplate/pkg-descr
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@ -1,16 +0,0 @@
Moltemplate is a general cross-platform text-based molecule builder for LAMMPS,
an extremely flexible and customizable molecular dynamics engine.
Moltemplate was designed for inventing new kinds of complex coarse-grained toy
models of molecules, molecular machines, and assemblies. However it is well
suited for preparing realistic all-atom simulations as well. It supports a wide
variety of existing force fields and models including: OPLS, AMBER(GAFF,GAFF2),
COMPASS, LOPLS(2015), EFF, TraPPE(1998), MOLC, mW, ELBA(water), and oxDNA2.
However it can be used to build molecules using any of the force fields (and
atom styles) available in LAMMPS, including new force fields created by
modifying the LAMMPS source code. Molecules can be copied, combined, and linked
together as building-blocks to define new molecules (hierarchically). Once
built, individual molecules and subunits can be customized (atoms, bonds, and
subunits can be moved and deleted). Moltemplate is currently interoperable with:
VMD , PACKMOL , OVITO , CellPACK , VIPSTER , and the ATB molecule server
(by using the ltemplify.py converter).